N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

C75H68Cl3N17O10S2 — CID 160981168

About N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 160981168) has the molecular formula C75H68Cl3N17O10S2 and a molecular weight of 1537.97 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
• PubChem CID: 160981168
• Molecular Formula: C75H68Cl3N17O10S2
• Molecular Weight: 1537.97 g/mol
• Exact Mass: 1535.38
• IUPAC Name: N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
• SMILES: CS(=O)(=O)c1cccc(OCC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1.O=C(COc1cc(Cl)ncn1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1cnc(Cl)cn1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=Cc1sccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
• InChI: InChI=1S/C21H21N3O4S.2C18H16ClN5O2.C18H15ClN4O2S/c1-29(26,27)17-9-5-8-16(12-17)28-14-20(25)24-11-10-19-18(13-24)21(23-22-19)15-6-3-2-4-7-15;19-15-8-21-16(9-20-15)26-11-17(25)24-7-6-14-13(10-24)18(23-22-14)12-4-2-1-3-5-12;19-15-8-16(21-11-20-15)26-10-17(25)24-7-6-14-13(9-24)18(23-22-14)12-4-2-1-3-5-12;19-11-2-1-3-12(8-11)20-18(25)23-6-4-15-14(9-23)17(22-21-15)13-5-7-26-16(13)10-24/h2-9,12H,10-11,13-14H2,1H3,(H,22,23);1-5,8-9H,6-7,10-11H2,(H,22,23);1-5,8,11H,6-7,9-10H2,(H,22,23);1-3,5,7-8,10H,4,6,9H2,(H,20,25)(H,21,22)
• InChIKey: SZNNPRFNVHJAJE-UHFFFAOYSA-N
• XLogP: 11.61
• TPSA: 338.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1537.97
LogP ≤ 5	11.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?

The IUPAC name of N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 160981168) is N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

What is the SMILES notation for N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?

The canonical SMILES for N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is CS(=O)(=O)c1cccc(OCC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1.O=C(COc1cc(Cl)ncn1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1cnc(Cl)cn1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=Cc1sccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.

What is the InChIKey of N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?

The InChIKey is SZNNPRFNVHJAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S.2C18H16ClN5O2.C18H15ClN4O2S/c1-29(26,27)17-9-5-8-16(12-17)28-14-20(25)24-11-10-19-18(13-24)21(23-22-19)15-6-3-2-4-7-15;19-15-8-21-16(9-20-15)26-11-17(25)24-7-6-14-13(10-24)18(23-22-14)12-4-2-1-3-5-12;19-15-8-16(21-11-20-15)26-10-17(25)24-7-6-14-13(9-24)18(23-22-14)12-4-2-1-3-5-12;19-11-2-1-3-12(8-11)20-18(25)23-6-4-15-14(9-23)17(22-21-15)13-5-7-26-16(13)10-24/h2-9,12H,10-11,13-14H2,1H3,(H,22,23);1-5,8-9H,6-7,10-11H2,(H,22,23);1-5,8,11H,6-7,9-10H2,(H,22,23);1-3,5,7-8,10H,4,6,9H2,(H,20,25)(H,21,22).

What are the key properties of N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?

N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 1537.97 g/mol, XLogP of 11.61, 16 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 160981168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).